Basic information
- CAS
6889-78-7- Standard SMILES
COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1- InChIKey
IIBBFGMVMNZMGA-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Overview
3-Hydroxy-4'-methoxyflavone has been reported in Millettia zechiana with data available.
Names & identifiers
- Preferred name
- 3-Hydroxy-4'-methoxyflavone
- IUPAC
- 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- 4'-Methoxyflavonol
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
4'-Methoxyflavonol3-Hydroxy-4'-methoxyflavone3-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one3-hydroxy-2-(4-methoxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 3-hydroxy-2-(4-methoxyphenyl)-NSC 102030DTXSID60218967RefChem:94145DTXCID101414584H-1-Benzopyran-4-one, 3-hydroxy-2-(4-methoxyphenyl)-(9CI)677-019-1IIBBFGMVMNZMGA-UHFFFAOYSA-N
Show more names
TIMTEC-BB SBB002386METHOXYFLAVONOL, 4'-3-hydroxy-4'-methoxyone4'-Methoxy-3-hydroxyflavone3-Hydroxy-4'-methoxyflavone>2-(4-METHOXYPHENYL)-3-HYDROXYFLAVONE3-hydroxy-2-(4-methoxyphenyl)chromone
6889-78-73-Hydroxy-4-methoxyflavoneMFCD00017682328R9ELU9F3-Hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-oneNSC-102030ST066904NSC102030
Database identifiers
- CAS
6889-78-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 233 · 233-234°C
- Boiling point
- 426.7 · 426.7±45.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 6.4 mg/mL · DMSO : 6.4 mg/mL (23.86 mM);Water : < 0.1 mg/mL (insoluble)
- form
- powder to crystal
- pka
- 8.93 · 8.93±0.20(Predicted)
- color
- Light orange to Yellow to Green
- λmax
- 350 nm · 350nm(EtOH)(lit.)
- FDA UNII
- 328 R9ELU9F · 328R9ELU9F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-Hydroxy-4p-methoxyflavone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyoxane-2-carboxylic acid.
Applications
Uses4'-Methoxyflavonol is a synthesized flavone/flavonol with 1, 2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) bilayers[1].
Upstream & downstream products
Downstream products
Suppliers49 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海达立康医药科技有限公司18658316824 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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